1-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]quinoxalin-2-one

C21H23ClN4O — CID 139617076

IUPAC1-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]quinoxalin-2-one
SMILESO=c1cnc2ccccc2n1CCCN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H23ClN4O/c22-17-6-8-18(9-7-17)25-14-12-24(13-15-25)10-3-11-26-20-5-2-1-4-19(20)23-16-21(26)27/h1-2,4-9,16H,3,10-15H2
InChIKeyVDZPTNGPNZUTCM-UHFFFAOYSA-N
MW382.90 g/mol
LogP3.26
Rot. Bonds5

About 1-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]quinoxalin-2-one

1-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]quinoxalin-2-one (PubChem CID 139617076) has the molecular formula C21H23ClN4O and a molecular weight of 382.90 g/mol. Its IUPAC name is 1-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]quinoxalin-2-one.

Molecular Properties

Compound Name1-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]quinoxalin-2-one
PubChem CID139617076
Molecular FormulaC21H23ClN4O
Molecular Weight382.90 g/mol
Exact Mass382.16
IUPAC Name1-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]quinoxalin-2-one
SMILESO=c1cnc2ccccc2n1CCCN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H23ClN4O/c22-17-6-8-18(9-7-17)25-14-12-24(13-15-25)10-3-11-26-20-5-2-1-4-19(20)23-16-21(26)27/h1-2,4-9,16H,3,10-15H2
InChIKeyVDZPTNGPNZUTCM-UHFFFAOYSA-N
XLogP3.26
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.90
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-morpholin-4-ylphenyl)-2-(2-oxoquinoxalin-1-yl)acetamide
CID 9154082
N-(4-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 687128
3-[4-(4-Chlorophenyl)piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 155536809
1,3-Bis[4-(3-chlorophenyl)piperazin-1-yl]propan-1-one
CID 155552311
1-[4-(3-Chlorophenyl)piperazin-1-yl]-3-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one
CID 155559092
3-[4-(3-Chlorophenyl)piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 155568373
N-(4-Chlorophenyl)-2-(3-methyl-2-oxo-1,2-dihydroquinoxalin-1-YL)acetamide
CID 46507833
1-Dimethylaminopropyl-3-methyl-6-chloroquinoxaline-2(1H)-one
CID 128123
1,2-Bis[4-(4-chlorophenyl)piperazin-1-yl]ethanone
CID 122195196
1-[4-(3-Chlorophenyl)piperazin-1-yl]-3-(4-phenylpiperazin-1-yl)propan-1-one
CID 155530006
1-(3-Piperidin-1-ylpropyl)quinoxalin-2-one
CID 76332490
N-(4-chlorophenyl)-N-[2-(dimethylamino)cyclohexyl]propanamide
CID 12862664

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]quinoxalin-2-one?
The IUPAC name of 1-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]quinoxalin-2-one (CID 139617076) is 1-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]quinoxalin-2-one.
What is the SMILES notation for 1-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]quinoxalin-2-one?
The canonical SMILES for 1-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]quinoxalin-2-one is O=c1cnc2ccccc2n1CCCN1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]quinoxalin-2-one?
The InChIKey is VDZPTNGPNZUTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O/c22-17-6-8-18(9-7-17)25-14-12-24(13-15-25)10-3-11-26-20-5-2-1-4-19(20)23-16-21(26)27/h1-2,4-9,16H,3,10-15H2.
What are the key properties of 1-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]quinoxalin-2-one?
1-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]quinoxalin-2-one has a molecular weight of 382.90 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]quinoxalin-2-one is sourced from PubChem (CID 139617076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).